Geometry & MOs

Info

ID:	36989
PubChem CID:	8015812
Reduced:	N3O4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	7.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886262
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=C3C(=CC(=N2)C(=O)N[C@H](C)C(=O)[O-])C4=CC=CC=C4N3

DOS

IR

Vibrations